SCHEMBL186731

SCHEMBL186731

N[C@]1(OC(=O)NCc2ncc(Nc3ccc(F)cc3C(F)(F)F)cc2Cl)CCOC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.35
ALOX15 P16050 1/20 0.34
OPRL1 P41146 4/20 0.33
BACE1 P56817 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
GCGR P47871 1/20 0.32
P2RX7 Q99572 1/20 0.31
NTRK1 P04629 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL186186 0.92 CNR2 (0.35) CNR2OPRL1MAPK3MAPK1P2RX7
SCHEMBL186318 0.88 CNR2 (0.37) CNR2P2RX7
SCHEMBL185877 0.87 P2RX7 (0.36) CNR2P2RX7
SCHEMBL2808145 0.86 CNR2 (0.36) CNR2ALOX15OPRL1BACE1GCGR
SCHEMBL185111 0.86 CNR2 (0.36) CNR2OPRL1MAPK3MAPK1P2RX7
SCHEMBL14857224 0.85 CNR2 (0.33) CNR2ALOX15OPRL1MAPK3MAPK1
SCHEMBL185024 0.84 OPRL1 (0.36) CNR2OPRL1
Hydrochloric Acid SCHEMBL2808081 0.81 AKT2 (0.39) CNR2ALOX15BACE1GCGRP2RX7
SCHEMBL13128961 0.79 CNR2 (0.40) CNR2P2RX7
SCHEMBL2808620 0.79 OPRL1 (0.37) CNR2ALOX15OPRL1BACE1GCGR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed